N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-methylindazole-5-carboxamide

C28H25F4N5O3 — CID 163429945

IUPACN-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-methylindazole-5-carboxamide
SMILESCn1cc2cc(C(=O)NC[C@](O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@@]4(N)C(F)(F)F)C3CC3)ccc2n1
InChIInChI=1S/C28H25F4N5O3/c1-37-12-17-10-16(4-9-21(17)36-37)25(38)34-13-26(39,18-5-6-18)22-11-20-24(40-14-27(20,33)28(30,31)32)23(35-22)15-2-7-19(29)8-3-15/h2-4,7-12,18,39H,5-6,13-14,33H2,1H3,(H,34,38)/t26-,27+/m1/s1
InChIKeyAPPVMVRVNQOOEC-SXOMAYOGSA-N
MW555.53 g/mol
LogP3.91
Rot. Bonds6

About N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-methylindazole-5-carboxamide

N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-methylindazole-5-carboxamide (PubChem CID 163429945) has the molecular formula C28H25F4N5O3 and a molecular weight of 555.53 g/mol. Its IUPAC name is N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-methylindazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-methylindazole-5-carboxamide
PubChem CID163429945
Molecular FormulaC28H25F4N5O3
Molecular Weight555.53 g/mol
Exact Mass555.19
IUPAC NameN-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-methylindazole-5-carboxamide
SMILESCn1cc2cc(C(=O)NC[C@](O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@@]4(N)C(F)(F)F)C3CC3)ccc2n1
InChIInChI=1S/C28H25F4N5O3/c1-37-12-17-10-16(4-9-21(17)36-37)25(38)34-13-26(39,18-5-6-18)22-11-20-24(40-14-27(20,33)28(30,31)32)23(35-22)15-2-7-19(29)8-3-15/h2-4,7-12,18,39H,5-6,13-14,33H2,1H3,(H,34,38)/t26-,27+/m1/s1
InChIKeyAPPVMVRVNQOOEC-SXOMAYOGSA-N
XLogP3.91
TPSA115.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.53
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-methylindazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-methylindazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-methylindazole-5-carboxamide (CID 163429945) is N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-methylindazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-methylindazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-methylindazole-5-carboxamide is Cn1cc2cc(C(=O)NC[C@](O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@@]4(N)C(F)(F)F)C3CC3)ccc2n1.
What is the InChIKey of N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-methylindazole-5-carboxamide?
The InChIKey is APPVMVRVNQOOEC-SXOMAYOGSA-N. The full InChI is InChI=1S/C28H25F4N5O3/c1-37-12-17-10-16(4-9-21(17)36-37)25(38)34-13-26(39,18-5-6-18)22-11-20-24(40-14-27(20,33)28(30,31)32)23(35-22)15-2-7-19(29)8-3-15/h2-4,7-12,18,39H,5-6,13-14,33H2,1H3,(H,34,38)/t26-,27+/m1/s1.
What are the key properties of N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-methylindazole-5-carboxamide?
N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-methylindazole-5-carboxamide has a molecular weight of 555.53 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-methylindazole-5-carboxamide is sourced from PubChem (CID 163429945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).